{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.31945e-10 0.0 0.0 ] "source-value" [ 5.31945 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] "source-value" [ -0.00383334 5.41695 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] "source-value" [ 0.0189848 -0.118491 5.47074 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.142431078155468e-09 1.745310594007734e-09 -7.902386907592665e-10 ] [ -1.838911033936167e-09 5.739240186551963e-10 -7.453771045062182e-10 ] [ 2.184821687346366e-08 2.686011485664143e-08 -2.825018604375554e-08 ] [ -1.732576974878602e-09 -9.771346764051937e-10 1.982908259907187e-10 ] [ -6.145845375908448e-10 1.913519432419298e-09 8.715925732512902e-10 ] [ -2.190204039486281e-08 -2.598991745879154e-08 2.94586811124754e-08 ] [ 9.930707261639808e-10 -1.612327531216403e-09 1.192427960913504e-10 ] [ 2.104394103267658e-09 -2.513489395528192e-09 -8.620053085700851e-10 ] ] "source-value" [ [ 0.7130494 1.0893372 -0.4932282 ] [ -1.147758 0.3582152 -0.4652278 ] [ 13.6365845 16.7647652 -17.6323794 ] [ -1.0813895 -0.6098795 0.1237634 ] [ -0.3835935 1.1943249 0.5440053 ] [ -13.6701785 -16.2216307 18.3866627 ] [ 0.619826 -1.0063357 0.0744255 ] [ 1.3134595 -1.5687967 -0.5380214 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.908892986076969e-18 "source-value" -61.846446 } }